2-[[6-[12-[6-(thiiran-2-ylmethoxy)naphthalen-2-yl]-12-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]naphthalen-2-yl]oxymethyl]thiirane;2-[[6-[12-[6-(thiiran-2-ylmethoxy)naphthalen-2-yl]-12-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaenyl]naphthalen-2-yl]oxymethyl]thiirane;2-[[6-[12-[6-(thiiran-2-ylmethoxy)naphthalen-2-yl]-12-pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaenyl]naphthalen-2-yl]oxymethyl]thiirane

C141H102O6S6 — CID 161473446

About 2-[[6-[12-[6-(thiiran-2-ylmethoxy)naphthalen-2-yl]-12-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]naphthalen-2-yl]oxymethyl]thiirane;2-[[6-[12-[6-(thiiran-2-ylmethoxy)naphthalen-2-yl]-12-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaenyl]naphthalen-2-yl]oxymethyl]thiirane;2-[[6-[12-[6-(thiiran-2-ylmethoxy)naphthalen-2-yl]-12-pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaenyl]naphthalen-2-yl]oxymethyl]thiirane

2-[[6-[12-[6-(thiiran-2-ylmethoxy)naphthalen-2-yl]-12-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]naphthalen-2-yl]oxymethyl]thiirane;2-[[6-[12-[6-(thiiran-2-ylmethoxy)naphthalen-2-yl]-12-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaenyl]naphthalen-2-yl]oxymethyl]thiirane;2-[[6-[12-[6-(thiiran-2-ylmethoxy)naphthalen-2-yl]-12-pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaenyl]naphthalen-2-yl]oxymethyl]thiirane (PubChem CID 161473446) has the molecular formula C141H102O6S6 and a molecular weight of 2084.76 g/mol. Its IUPAC name is 2-[[6-[12-[6-(thiiran-2-ylmethoxy)naphthalen-2-yl]-12-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]naphthalen-2-yl]oxymethyl]thiirane;2-[[6-[12-[6-(thiiran-2-ylmethoxy)naphthalen-2-yl]-12-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaenyl]naphthalen-2-yl]oxymethyl]thiirane;2-[[6-[12-[6-(thiiran-2-ylmethoxy)naphthalen-2-yl]-12-pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaenyl]naphthalen-2-yl]oxymethyl]thiirane.

Molecular Properties

• Compound Name: 2-[[6-[12-[6-(thiiran-2-ylmethoxy)naphthalen-2-yl]-12-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]naphthalen-2-yl]oxymethyl]thiirane;2-[[6-[12-[6-(thiiran-2-ylmethoxy)naphthalen-2-yl]-12-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaenyl]naphthalen-2-yl]oxymethyl]thiirane;2-[[6-[12-[6-(thiiran-2-ylmethoxy)naphthalen-2-yl]-12-pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaenyl]naphthalen-2-yl]oxymethyl]thiirane
• PubChem CID: 161473446
• Molecular Formula: C141H102O6S6
• Molecular Weight: 2084.76 g/mol
• Exact Mass: 2082.60
• IUPAC Name: 2-[[6-[12-[6-(thiiran-2-ylmethoxy)naphthalen-2-yl]-12-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]naphthalen-2-yl]oxymethyl]thiirane;2-[[6-[12-[6-(thiiran-2-ylmethoxy)naphthalen-2-yl]-12-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaenyl]naphthalen-2-yl]oxymethyl]thiirane;2-[[6-[12-[6-(thiiran-2-ylmethoxy)naphthalen-2-yl]-12-pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaenyl]naphthalen-2-yl]oxymethyl]thiirane
• SMILES: c1ccc2c3c(ccc2c1)C(c1ccc2cc(OCC4CS4)ccc2c1)(c1ccc2cc(OCC4CS4)ccc2c1)c1c-3ccc2ccccc12.c1ccc2cc3c(cc2c1)-c1c(ccc2ccccc12)C3(c1ccc2cc(OCC3CS3)ccc2c1)c1ccc2cc(OCC3CS3)ccc2c1.c1ccc2cc3c(cc2c1)-c1ccc2ccccc2c1C3(c1ccc2cc(OCC3CS3)ccc2c1)c1ccc2cc(OCC3CS3)ccc2c1
• InChI: InChI=1S/3C47H34O2S2/c1-3-7-41-29(5-1)14-20-44-45(41)43-19-13-30-6-2-4-8-42(30)46(43)47(44,35-15-9-33-23-37(17-11-31(33)21-35)48-25-39-27-50-39)36-16-10-34-24-38(18-12-32(34)22-36)49-26-40-28-51-40;1-2-7-31-24-45-43(23-30(31)6-1)46-42-8-4-3-5-29(42)13-18-44(46)47(45,36-14-9-34-21-38(16-11-32(34)19-36)48-25-40-27-50-40)37-15-10-35-22-39(17-12-33(35)20-37)49-26-41-28-51-41;1-2-7-31-24-45-44(23-30(31)6-1)43-18-13-29-5-3-4-8-42(29)46(43)47(45,36-14-9-34-21-38(16-11-32(34)19-36)48-25-40-27-50-40)37-15-10-35-22-39(17-12-33(35)20-37)49-26-41-28-51-41/h1-24,39-40H,25-28H2;2*1-24,40-41H,25-28H2
• InChIKey: WDJWCIIXUXCTTG-UHFFFAOYSA-N
• XLogP: 34.95
• TPSA: 55.38 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 24
• Heavy Atoms: 153
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2084.76
LogP ≤ 5	34.95
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[[6-[12-[6-(thiiran-2-ylmethoxy)naphthalen-2-yl]-12-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]naphthalen-2-yl]oxymethyl]thiirane;2-[[6-[12-[6-(thiiran-2-ylmethoxy)naphthalen-2-yl]-12-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaenyl]naphthalen-2-yl]oxymethyl]thiirane;2-[[6-[12-[6-(thiiran-2-ylmethoxy)naphthalen-2-yl]-12-pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaenyl]naphthalen-2-yl]oxymethyl]thiirane?

The IUPAC name of 2-[[6-[12-[6-(thiiran-2-ylmethoxy)naphthalen-2-yl]-12-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]naphthalen-2-yl]oxymethyl]thiirane;2-[[6-[12-[6-(thiiran-2-ylmethoxy)naphthalen-2-yl]-12-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaenyl]naphthalen-2-yl]oxymethyl]thiirane;2-[[6-[12-[6-(thiiran-2-ylmethoxy)naphthalen-2-yl]-12-pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaenyl]naphthalen-2-yl]oxymethyl]thiirane (CID 161473446) is 2-[[6-[12-[6-(thiiran-2-ylmethoxy)naphthalen-2-yl]-12-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]naphthalen-2-yl]oxymethyl]thiirane;2-[[6-[12-[6-(thiiran-2-ylmethoxy)naphthalen-2-yl]-12-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaenyl]naphthalen-2-yl]oxymethyl]thiirane;2-[[6-[12-[6-(thiiran-2-ylmethoxy)naphthalen-2-yl]-12-pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaenyl]naphthalen-2-yl]oxymethyl]thiirane.

What is the SMILES notation for 2-[[6-[12-[6-(thiiran-2-ylmethoxy)naphthalen-2-yl]-12-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]naphthalen-2-yl]oxymethyl]thiirane;2-[[6-[12-[6-(thiiran-2-ylmethoxy)naphthalen-2-yl]-12-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaenyl]naphthalen-2-yl]oxymethyl]thiirane;2-[[6-[12-[6-(thiiran-2-ylmethoxy)naphthalen-2-yl]-12-pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaenyl]naphthalen-2-yl]oxymethyl]thiirane?

The canonical SMILES for 2-[[6-[12-[6-(thiiran-2-ylmethoxy)naphthalen-2-yl]-12-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]naphthalen-2-yl]oxymethyl]thiirane;2-[[6-[12-[6-(thiiran-2-ylmethoxy)naphthalen-2-yl]-12-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaenyl]naphthalen-2-yl]oxymethyl]thiirane;2-[[6-[12-[6-(thiiran-2-ylmethoxy)naphthalen-2-yl]-12-pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaenyl]naphthalen-2-yl]oxymethyl]thiirane is c1ccc2c3c(ccc2c1)C(c1ccc2cc(OCC4CS4)ccc2c1)(c1ccc2cc(OCC4CS4)ccc2c1)c1c-3ccc2ccccc12.c1ccc2cc3c(cc2c1)-c1c(ccc2ccccc12)C3(c1ccc2cc(OCC3CS3)ccc2c1)c1ccc2cc(OCC3CS3)ccc2c1.c1ccc2cc3c(cc2c1)-c1ccc2ccccc2c1C3(c1ccc2cc(OCC3CS3)ccc2c1)c1ccc2cc(OCC3CS3)ccc2c1.

What is the InChIKey of 2-[[6-[12-[6-(thiiran-2-ylmethoxy)naphthalen-2-yl]-12-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]naphthalen-2-yl]oxymethyl]thiirane;2-[[6-[12-[6-(thiiran-2-ylmethoxy)naphthalen-2-yl]-12-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaenyl]naphthalen-2-yl]oxymethyl]thiirane;2-[[6-[12-[6-(thiiran-2-ylmethoxy)naphthalen-2-yl]-12-pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaenyl]naphthalen-2-yl]oxymethyl]thiirane?

The InChIKey is WDJWCIIXUXCTTG-UHFFFAOYSA-N. The full InChI is InChI=1S/3C47H34O2S2/c1-3-7-41-29(5-1)14-20-44-45(41)43-19-13-30-6-2-4-8-42(30)46(43)47(44,35-15-9-33-23-37(17-11-31(33)21-35)48-25-39-27-50-39)36-16-10-34-24-38(18-12-32(34)22-36)49-26-40-28-51-40;1-2-7-31-24-45-43(23-30(31)6-1)46-42-8-4-3-5-29(42)13-18-44(46)47(45,36-14-9-34-21-38(16-11-32(34)19-36)48-25-40-27-50-40)37-15-10-35-22-39(17-12-33(35)20-37)49-26-41-28-51-41;1-2-7-31-24-45-44(23-30(31)6-1)43-18-13-29-5-3-4-8-42(29)46(43)47(45,36-14-9-34-21-38(16-11-32(34)19-36)48-25-40-27-50-40)37-15-10-35-22-39(17-12-33(35)20-37)49-26-41-28-51-41/h1-24,39-40H,25-28H2;2*1-24,40-41H,25-28H2.

What are the key properties of 2-[[6-[12-[6-(thiiran-2-ylmethoxy)naphthalen-2-yl]-12-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]naphthalen-2-yl]oxymethyl]thiirane;2-[[6-[12-[6-(thiiran-2-ylmethoxy)naphthalen-2-yl]-12-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaenyl]naphthalen-2-yl]oxymethyl]thiirane;2-[[6-[12-[6-(thiiran-2-ylmethoxy)naphthalen-2-yl]-12-pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaenyl]naphthalen-2-yl]oxymethyl]thiirane?

2-[[6-[12-[6-(thiiran-2-ylmethoxy)naphthalen-2-yl]-12-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]naphthalen-2-yl]oxymethyl]thiirane;2-[[6-[12-[6-(thiiran-2-ylmethoxy)naphthalen-2-yl]-12-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaenyl]naphthalen-2-yl]oxymethyl]thiirane;2-[[6-[12-[6-(thiiran-2-ylmethoxy)naphthalen-2-yl]-12-pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaenyl]naphthalen-2-yl]oxymethyl]thiirane has a molecular weight of 2084.76 g/mol, XLogP of 34.95, 24 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[6-[12-[6-(thiiran-2-ylmethoxy)naphthalen-2-yl]-12-pentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl]naphthalen-2-yl]oxymethyl]thiirane;2-[[6-[12-[6-(thiiran-2-ylmethoxy)naphthalen-2-yl]-12-pentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaenyl]naphthalen-2-yl]oxymethyl]thiirane;2-[[6-[12-[6-(thiiran-2-ylmethoxy)naphthalen-2-yl]-12-pentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2,4,6,8,10,14,16,18,20-decaenyl]naphthalen-2-yl]oxymethyl]thiirane is sourced from PubChem (CID 161473446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).